SCHEMBL18458499

SCHEMBL18458499

FC(F)(F)c1ccc(NCC2(N3CCN(Cc4ccccc4)CC3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
HIF1A Q16665 2/20 0.46
EPAS1 Q99814 2/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
OPRM1 P35372 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
BCHE P06276 1/20 0.42
BACE1 P56817 1/20 0.42
KCNH2 Q12809 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ALDH1A1 P00352 2/20 0.41
FAAH O00519 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18458573 0.93 HIF1A (0.52) ACHEHIF1AEPAS1POLBGAA
SCHEMBL18458727 0.85 ACHE (0.44) ACHEGAASIGMAR1OPRM1LMNA
SCHEMBL18458724 0.82 SIGMAR1 (0.51) SIGMAR1OPRM1NPC1RAB9AMAPT
SCHEMBL18458512 0.80 SIGMAR1 (0.55) ACHESIGMAR1OPRM1MAPTKCNH2
SCHEMBL18458577 0.79 OPRM1 (0.45) ACHEHIF1AEPAS1GAASIGMAR1
SCHEMBL18458576 0.79 SIGMAR1 (0.46) ACHEGAASIGMAR1OPRM1LMNA
SCHEMBL21337472 0.78 SIGMAR1 (0.46) POLBSIGMAR1OPRM1LMNAMAPK1
SCHEMBL18458325 0.77 SIGMAR1 (0.56) ACHEPOLBSIGMAR1OPRM1MAPK1
SCHEMBL18458492 0.77 SIGMAR1 (0.49) ACHESIGMAR1OPRM1KCNH2CHRM2
SCHEMBL18458388 0.77 SIGMAR1 (0.55) POLBSIGMAR1OPRM1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
WO-2017016669-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 ACHE 61/4885HIF1A 493/4885EPAS1 3425/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 ACHE 61/4885HIF1A 493/4885EPAS1 3425/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.